#DFF:MSD
#Model Structure Data File    Energy = 0.0
41
     1       C1    6 C02          c_3a    -0.1190    -3.3379    -3.6217     0.0166    1 UNK 0
     2       C2    6 C02          c_3a    -0.1190    -2.8850    -5.0099     0.0024    1 UNK 0
     3       C3    6 C02          c_3a    -0.1190    -1.4788    -5.3135     0.2623    1 UNK 0
     4       C4    6 C02          c_3a    -0.1190    -0.5340    -4.2225     0.5224    1 UNK 0
     5       C5    6 C01          c_3a     0.0812    -0.9746    -2.8242     0.4551    1 UNK 0
     6       C6    6 C02          c_3a    -0.1190    -2.3870    -2.5190     0.2335    1 UNK 0
     7       C7    6 C12          c_4h2    -0.1672    -0.0299    -1.6769     0.3139    1 UNK 0
     8       C8    6 C10          c_3o     0.3500     1.1022    -2.0000    -0.5923    1 UNK 0
     9       N9    7 N19          n_3h1    -0.6102     2.3828    -2.2007     0.0277    1 UNK 0
    10      O10    8 O21          o_1    -0.4700     0.8907    -2.4889    -1.8447    1 UNK 0
    11      C11    6 C04          c_44     0.3610     3.2212    -3.2727    -0.5131    1 UNK 0
    12      C12    6 C03          c_34     0.7644     3.6358    -4.6695    -0.4954    1 UNK 0
    13      C13    6 C05          c_44     0.4485     3.8822    -3.4159     0.8766    1 UNK 0
    14      N14    7 N18          n_34    -0.6330     4.4233    -4.7737     0.6881    1 UNK 0
    15      C15    6 C06          c_45    -0.1090     5.7931    -4.3187     0.5986    1 UNK 0
    16      C16    6 C07          c_45     0.2719     5.8728    -2.8590     0.0335    1 UNK 0
    17      S17   16 S24          s_25    -0.2195     5.0479    -2.0303     1.5357    1 UNK 0
    18      O18    8 O21          o_1    -0.5911     2.6657    -5.6272    -0.6685    1 UNK 0
    19      C19    6 C11          c_3o     0.6436     7.2136    -4.6627     0.2434    1 UNK 0
    20      O20    8 O21          o_1    -0.4700     7.5095    -5.9630     0.6116    1 UNK 0
    21      O21    8 O23          o_2    -0.4680     8.3487    -3.9742    -0.3004    1 UNK 0
    22      C22    6 C14          c_4h3    -0.2025     6.5938    -1.8895     0.9626    1 UNK 0
    23      C23    6 C14          c_4h3    -0.2025     6.1828    -2.6351    -1.4438    1 UNK 0
    24      H24    1 H15          h_1     0.1190    -4.3841    -3.3824    -0.1635    1 UNK 0
    25      H25    1 H15          h_1     0.1190    -3.5850    -5.8120    -0.1940    1 UNK 0
    26      H26    1 H15          h_1     0.1190    -1.1273    -6.3355     0.2411    1 UNK 0
    27      H27    1 H15          h_1     0.1190     0.5034    -4.4790     0.6712    1 UNK 0
    28      H28    1 H15          h_1     0.1190    -2.7190    -1.5025     0.1779    1 UNK 0
    29      H29    1 H15          h_1     0.0430     0.3469    -1.3962     1.3235    1 UNK 0
    30      H30    1 H15          h_1     0.0430    -0.5838    -0.8197    -0.1029    1 UNK 0
    31      H31    1 H16          h_1n     0.3500     2.8490    -1.2716     0.2656    1 UNK 0
    32      H32    1 H15          h_1     0.0520     2.2961    -3.7150    -0.7771    1 UNK 0
    33      H33    1 H15          h_1     0.0520     3.1287    -3.3314     1.6761    1 UNK 0
    34      H34    1 H15          h_1     0.0064     6.7288    -5.0659     0.2856    1 UNK 0
    35      H35    1 H17          h_1o     0.4180     8.5375    -4.4805    -1.1698    1 UNK 0
    36      H36    1 H15          h_1     0.0430     7.6828    -2.1283     0.9764    1 UNK 0
    37      H37    1 H15          h_1     0.0430     6.4651    -0.8405     0.5868    1 UNK 0
    38      H38    1 H15          h_1     0.0430     6.1876    -1.9636     1.9769    1 UNK 0
    39      H39    1 H15          h_1     0.0430     6.5193    -1.5831    -1.6126    1 UNK 0
    40      H40    1 H15          h_1     0.0430     7.0116    -3.3257    -1.7618    1 UNK 0
    41      H41    1 H15          h_1     0.0430     5.2805    -2.8434    -2.0648    1 UNK 0
43
    11     12    1
     5      6    2
    12     14    1
    13     11    1
    13     14    1
     6      1    1
     1      2    2
     5      7    1
     3      4    2
     7      8    1
    14     15    1
    15     16    1
    16     17    1
    17     13    1
    12     18    2
     8      9    1
    15     19    1
     4      5    1
    19     20    2
     8     10    2
    19     21    1
     2      3    1
    16     22    1
     9     11    1
    16     23    1
     1     24    1
     2     25    1
     3     26    1
     4     27    1
     6     28    1
     7     29    1
     7     30    1
     9     31    1
    11     32    1
    13     33    1
    15     34    1
    21     35    1
    22     36    1
    22     37    1
    22     38    1
    23     39    1
    23     40    1
    23     41    1


